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  1. Third-Parties
  2. MatprojStructure
  3. mp-572794

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-572794
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 4
  • Element list: ['Re', 'P', 'Cl', 'O']
  • Chemical System: Cl-O-P-Re
  • Density: 2.6666710935731057
  • Atomic Density: 0.03696398379874415
  • Unit Cell Volume: 1190.3478867311617
  • Molar Volume: 16.291914834689983
  • Full Formula: Re4 P4 Cl24 O12
  • Reduced Formula: ReP(Cl2O)3
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -243.47255332
  • Final energy per atom: -5.533467120909091
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.